3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one

C20H17N3O — CID 142445399

IUPAC3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2
InChIInChI=1S/C20H17N3O/c24-20-15(6-3-10-22-20)19-13-5-2-1-4-12(13)18-14-9-11-21-16(14)7-8-17(18)23-19/h3,6-11,23H,1-2,4-5H2,(H,22,24)
InChIKeyYJNBPXOYSVKGKM-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.95
Rot. Bonds1

About 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one

3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one (PubChem CID 142445399) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
PubChem CID142445399
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2
InChIInChI=1S/C20H17N3O/c24-20-15(6-3-10-22-20)19-13-5-2-1-4-12(13)18-14-9-11-21-16(14)7-8-17(18)23-19/h3,6-11,23H,1-2,4-5H2,(H,22,24)
InChIKeyYJNBPXOYSVKGKM-UHFFFAOYSA-N
XLogP3.95
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one (CID 142445399) is 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one is O=c1[nH]cccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.
What is the InChIKey of 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one?
The InChIKey is YJNBPXOYSVKGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20-15(6-3-10-22-20)19-13-5-2-1-4-12(13)18-14-9-11-21-16(14)7-8-17(18)23-19/h3,6-11,23H,1-2,4-5H2,(H,22,24).
What are the key properties of 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one?
3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one is sourced from PubChem (CID 142445399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).